3-Methylbutyl 3-hydroxy-2-methylidenebutanoate
TL;DR: 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate (CAS 80758-72-1) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 3-hydroxy-2-methylidenebutanoate
Also Known As: 3-methylbutyl 3-hydroxy-2-methylidenebutanoate, Isopentyl 3-hydroxy-2-methylenebutanoate, Isopentyl 2-(1-hydroxyethyl)acrylate, Isopentyl3-hydroxy-2-methylenebutanoate, Isopentyl 2-(1-hydroxyethyl)acrylate #
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 80758-72-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(=C)C(C)O |
| InChIKey | URBTVTZTLQVLCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbutyl 3-hydroxy-2-methylidenebutanoate (CAS 80758-72-1), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 3-methylbutyl 3-hydroxy-2-methylidenebutanoate.
Chemical Property Profile of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate
Property Insights of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate?
The CAS number of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate is 80758-72-1.
What is the molecular formula of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate?
The molecular formula of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate is C10H18O3.
What is the molecular weight of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate?
The molecular weight of 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate is 186.13 g/mol.
Where can I buy 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate?
You can request a quote for 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 3-hydroxy-2-methylidenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.